SCHEMBL13985145

SCHEMBL13985145

C=C1COc2cc3c(cc21)CCC1Cc2c(ccc(OC)c2OS(=O)(=O)C2CCCC2)CC31

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F3 P13726 7/20 0.34
DRD1 P21728 5/20 0.34
DRD2 P14416 3/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
ADRA1A P35348 1/20 0.34
DRD3 P35462 1/20 0.34
MEN1 O00255 1/20 0.34
CHRM4 P08173 1/20 0.33
HTR7 P34969 1/20 0.33
ALDH1A1 P00352 1/20 0.32
EP300 Q09472 1/20 0.31
HTR1A P08908 2/20 0.30
P2RX7 Q99572 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2742542 0.87 F3 (0.46) F3DRD1DRD2KMT2ALMNA
SCHEMBL2742545 0.71 EP300 (0.47) F3DRD1DRD2KMT2ALMNA
SCHEMBL2742629 0.69 F3 (0.73) F3DRD1DRD2KMT2ALMNA
SCHEMBL24697074 0.66 F3 (0.67) F3DRD1DRD2KMT2ALMNA
SCHEMBL2742544 0.66 DRD1 (0.60) F3DRD1DRD2KMT2ALMNA
SCHEMBL16772366 0.60 DRD1 (0.48) F3DRD1DRD2LMNACYP1A2
SCHEMBL16774958 0.60 DRD1 (0.46) F3DRD1DRD2LMNACYP1A2
SCHEMBL22005137 0.58 PARP1 (0.40) F3DRD1DRD2KMT2ALMNA
SCHEMBL14208062 0.58 DRD1 (0.46) F3DRD1DRD2KMT2ALMNA
SCHEMBL910003 0.56 F3 (0.80) F3DRD1DRD2KMT2ALMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009002873-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING LIPID LEVELS CVI PHARMACEUTICALS LIMITED (KY) 2008-12-31 WO disclosed